SCHEMBL28592006

SCHEMBL28592006

COC(=O)c1ccc(-c2n[nH]c(N)c2Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 2/20 0.59
MAPK1 P28482 1/20 0.56
MYC P01106 1/20 0.46
WDR5 P61964 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
RHEB Q15382 1/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
DHODH Q02127 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4440046 0.78 MAPK1 (0.50) MAP2K4MAPK1MYCWDR5KDM4E
SCHEMBL11144994 0.77 MAP2K4 (0.52) MAP2K4MAPK1KDM4EALDH1A1CA12
SCHEMBL14918780 0.76 TRPA1 (0.48) MAP2K4MAPK1MYCWDR5KDM4E
SCHEMBL16036711 0.74 DHODH (0.46) MAP2K4MAPK1MYCWDR5KDM4E
SCHEMBL29556666 0.74 DHODH (0.46) MAP2K4MAPK1MYCWDR5KDM4E
SCHEMBL22801611 0.74 MAP2K4 (1.00) MAP2K4MAPK1RHEBMAPTDHODH
SCHEMBL8126956 0.72 MAPK1 (0.72) MAP2K4MAPK1KDM4EALDH1A1TP53
SCHEMBL30079151 0.72 CA1 (0.57) MAP2K4MAPK1MYCWDR5KDM4E
SCHEMBL4009647 0.72 MAPK1 (0.47) MAP2K4MAPK1MYCWDR5KDM4E
SCHEMBL4449523 0.72 MAP2K4 (0.53) MAP2K4MAPK1MYCWDR5KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113166070-A Pesticidal compounds 巴斯夫欧洲公司 2021-07-23 CN disclosed